A0A077Z0R4_TRITR Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A077Z0R4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 120 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low47.5Very low240 Ų240107.9 Ų107.9100%1.18256%0.557SS**  058.30-65178.2174.200111.4
2Y43.5Very low47.5Very low194 Ų194108.7 Ų108.776%0.76156%0.556SS**  trans-133.12-179.3-117.5-91.3000114.2
3T54.9Low47.7Very low122 Ų122107.5 Ų107.575%0.74855%0.55SS**Hα-helixtrans-88.1-28.9-172.348.50000113.5W7T3-W7 PolarHBondContact O-N 3.03Å
4G51.3Low47.8Very low43 Ų43100.7 Ų100.744%0.44352%0.515SS..Hα-helixtrans-68.6-44.2-179.800000113.6W7 L8G4-W7 PolarHBondContact O-N 2.97Å; G4-L8 WeakPolarHBondContact O-CG 3.32Å; G4-L8 PolarHBondContact O-N 3.11Å
5S55.4Low47.8Very low76 Ų7694.9 Ų94.953%0.53149%0.487SS..Hα-helixtrans-68.1-41.1-176-50.40000112.6W7 L8 L9S5-W7 VanDerWaalsContact C-N 3.3Å; S5-W7 PolarHBondContact O-N 2.76Å; S5-L8 PolarHBondContact O-N 3.32Å; S5-L9 WeakPolarHBondContact O-CB 3.22Å; S5-L9 VanDerWaalsContact O-CG 3.28Å; S5-L9 WeakPolarHBondContact O-CG 3.33Å; S5-L9 PolarHBondContact O-N 3.4Å
6L46.7Very low47.7Very low115 Ų11597.4 Ų97.460%0.60250%0.498SS*.Hα-helixtrans-62-39.7176.8-74.3172000111.6Y10L6-Y10 WeakPolarHBondContact O-CB 3.33Å; L6-Y10 PolarHBondContact O-N 3.23Å
7W45.1Very low47.7Very low96 Ų9692.8 Ų92.836%0.36448%0.475SS..Hα-helixtrans-66.2-43.9176.5-179.5-107.2000112.5T3 G4 S5 Y10 I11 Q45T3-W7 PolarHBondContact O-N 3.03Å; G4-W7 PolarHBondContact O-N 2.97Å; S5-W7 VanDerWaalsContact C-N 3.3Å; S5-W7 PolarHBondContact O-N 2.76Å; W7-Y10 HydrophobicContact CE3-CD1 4.36Å; W7-Y10 HydrophobicContact CZ3-CD1 4.15Å; W7-Y10 HydrophobicContact CZ3-CE1 4.4Å; W7-Y10 WeakPolarHBondContact O-CB 3.39Å; W7-Y10 PolarHBondContact O-N 2.75Å; W7-I11 HydrophobicContact CD2-CD1 4.39Å; W7-I11 HydrophobicContact CG-CD1 4.36Å; W7-I11 HydrophobicContact CZ2-CD1 4.14Å; W7-I11 HydrophobicContact CZ2-CG1 4.46Å; W7-I11 WeakPolarHBondContact O-CB 3.18Å; W7-I11 WeakPolarHBondContact O-CG1 3.31Å; W7-I11 PolarHBondContact O-N 2.74Å; W7-Q45 HydrophobicContact CH2-CB 4.38Å; W7-Q45 HydrophobicContact CH2-CG 4.46Å; W7-Q45 HydrophobicContact CZ2-CB 4.05Å; W7-Q45 HydrophobicContact CZ2-CG 3.8Å
8L49.7Very low47.9Very low104 Ų10487.7 Ų87.755%0.54545%0.449SS..Hα-helixtrans-64.4-41.3176.2-70.4173000112.2G4 S5 Y10 I11 Q12G4-L8 WeakPolarHBondContact O-CG 3.32Å; G4-L8 PolarHBondContact O-N 3.11Å; S5-L8 PolarHBondContact O-N 3.32Å; L8-Y10 VanDerWaalsContact C-N 3.35Å; L8-I11 WeakPolarHBondContact O-CB 3.4Å; L8-I11 PolarHBondContact O-N 2.71Å; L8-Q12 WeakPolarHBondContact O-CG 3.14Å; L8-Q12 PolarHBondContact O-N 3.15Å
9L46.9Very low47.9Very low102 Ų10284.1 Ų84.153%0.53443%0.433SS..Hα-helixtrans-61.2-44.3174.3-75.7168.3000111.3S5 I11 Q12 L13S5-L9 WeakPolarHBondContact O-CB 3.22Å; S5-L9 VanDerWaalsContact O-CG 3.28Å; S5-L9 WeakPolarHBondContact O-CG 3.33Å; S5-L9 PolarHBondContact O-N 3.4Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.25Å; L9-Q12 PolarHBondContact O-N 3.15Å; L9-L13 WeakPolarHBondContact O-CB 2.98Å; L9-L13 PolarHBondContact O-N 3.06Å
10Y47.8Very low48Very low63 Ų6382.6 Ų82.625%0.24743%0.434CS..Hα-helixtrans-59.4-43.3175.4178.2-97.8000111.8L6 W7 L8 L13 F14 L112L6-Y10 WeakPolarHBondContact O-CB 3.33Å; L6-Y10 PolarHBondContact O-N 3.23Å; W7-Y10 HydrophobicContact CE3-CD1 4.36Å; W7-Y10 HydrophobicContact CZ3-CD1 4.15Å; W7-Y10 HydrophobicContact CZ3-CE1 4.4Å; W7-Y10 WeakPolarHBondContact O-CB 3.39Å; W7-Y10 PolarHBondContact O-N 2.75Å; L8-Y10 VanDerWaalsContact C-N 3.35Å; Y10-L13 PolarHBondContact O-N 3.33Å; Y10-F14 VanDerWaalsContact O-CB 3.3Å; Y10-F14 WeakPolarHBondContact O-CB 3.31Å; Y10-F14 PolarHBondContact O-N 3.41Å; Y10-L112 HydrophobicContact CE2-CB 4.39Å; Y10-L112 HydrophobicContact CE2-CD2 4.26Å; Y10-L112 WeakPolarHBondContact OH-CB 3.3Å; Y10-L112 PolarHBondContact OH-O 3.37Å
11I48Very low48Very low32 Ų3279.2 Ų79.216%0.16442%0.417CS..Hα-helixtrans-61.1-47.3175.3-82.4174.5000112W7 L8 L9 F14 S15 I42W7-I11 HydrophobicContact CD2-CD1 4.39Å; W7-I11 HydrophobicContact CG-CD1 4.36Å; W7-I11 HydrophobicContact CZ2-CD1 4.14Å; W7-I11 HydrophobicContact CZ2-CG1 4.46Å; W7-I11 WeakPolarHBondContact O-CB 3.18Å; W7-I11 WeakPolarHBondContact O-CG1 3.31Å; W7-I11 PolarHBondContact O-N 2.74Å; L8-I11 WeakPolarHBondContact O-CB 3.4Å; L8-I11 PolarHBondContact O-N 2.71Å; L9-I11 VanDerWaalsContact C-N 3.31Å; L9-I11 PolarHBondContact O-N 3.25Å; I11-F14 PolarHBondContact O-N 3.22Å; I11-S15 VanDerWaalsContact O-CB 3.24Å; I11-S15 WeakPolarHBondContact O-CB 3.24Å; I11-S15 PolarHBondContact O-N 3.16Å; I11-S15 PolarHBondContact O-OG 2.91Å; I11-I42 HydrophobicContact CB-CD1 3.8Å; I11-I42 HydrophobicContact CD1-CD1 3.78Å; I11-I42 HydrophobicContact CG1-CD1 3.45Å; I11-I42 VanDerWaalsContact CG1-CD1 3.45Å; I11-I42 HydrophobicContact CG2-CD1 3.29Å; I11-I42 HydrophobicContact CG2-CG1 4.36Å
12Q47.8Very low48.8Very low117 Ų11767.8 Ų67.855%0.54736%0.361SS..Hα-helixtrans-63.8-44.9179.7-75176.7-30.400110.6L8 L9 S15 M16L8-Q12 WeakPolarHBondContact O-CG 3.14Å; L8-Q12 PolarHBondContact O-N 3.15Å; L9-Q12 PolarHBondContact O-N 3.15Å; Q12-S15 PolarHBondContact O-N 2.79Å; Q12-M16 WeakPolarHBondContact O-CB 2.87Å; Q12-M16 WeakPolarHBondContact O-CG 3.44Å; Q12-M16 PolarHBondContact O-N 3.45Å
13L49Very low49.1Very low93 Ų9359.3 Ų59.349%0.48733%0.33SS..Hα-helixtrans-60.2-51.4177.2-173.469.6000110.4L9 Y10 S15 M16 V17L9-L13 WeakPolarHBondContact O-CB 2.98Å; L9-L13 PolarHBondContact O-N 3.06Å; Y10-L13 PolarHBondContact O-N 3.33Å; L13-S15 VanDerWaalsContact C-N 3.3Å; L13-S15 PolarHBondContact O-N 3.27Å; L13-M16 PolarHBondContact O-N 2.83Å; L13-V17 WeakPolarHBondContact O-CG2 2.89Å; L13-V17 PolarHBondContact O-N 2.83Å
14F49.1Very low48.9Very low13 Ų1356.8 Ų56.86%0.05731%0.314CS..Hα-helixtrans-58.3-44.2177.8-177-74.2000111.4Y10 I11 M16 V17 A18 I48 L109 V113Y10-F14 VanDerWaalsContact O-CB 3.3Å; Y10-F14 WeakPolarHBondContact O-CB 3.31Å; Y10-F14 PolarHBondContact O-N 3.41Å; I11-F14 PolarHBondContact O-N 3.22Å; F14-M16 PolarHBondContact O-N 3.49Å; F14-V17 PolarHBondContact O-N 3.47Å; F14-A18 HydrophobicContact CD1-CB 4.37Å; F14-A18 HydrophobicContact CE1-CB 4.19Å; F14-A18 VanDerWaalsContact O-CB 3.29Å; F14-A18 WeakPolarHBondContact O-CB 3.43Å; F14-A18 PolarHBondContact O-N 3.16Å; F14-I48 HydrophobicContact CD1-CD1 3.03Å; F14-I48 HydrophobicContact CD1-CG1 3.95Å; F14-I48 HydrophobicContact CE1-CB 4.24Å; F14-I48 HydrophobicContact CE1-CD1 3.23Å; F14-I48 HydrophobicContact CE1-CG1 3.6Å; F14-I48 HydrophobicContact CG-CD1 4.1Å; F14-I48 HydrophobicContact CZ-CD1 4.43Å; F14-L109 HydrophobicContact CD2-CD1 4.17Å; F14-L109 HydrophobicContact CD2-CD2 4.49Å; F14-L109 HydrophobicContact CD2-CG 3.95Å; F14-L109 HydrophobicContact CE1-CD2 3.94Å; F14-L109 HydrophobicContact CE1-CG 4.39Å; F14-L109 HydrophobicContact CE2-CD1 4.05Å; F14-L109 HydrophobicContact CE2-CD2 3.6Å; F14-L109 HydrophobicContact CE2-CG 3.39Å; F14-L109 HydrophobicContact CG-CD1 4.5Å; F14-L109 HydrophobicContact CZ-CD1 4.32Å; F14-L109 HydrophobicContact CZ-CD2 3.31Å; F14-L109 HydrophobicContact CZ-CG 3.69Å; F14-V113 HydrophobicContact CD2-CG2 4.49Å; F14-V113 HydrophobicContact CE2-CG2 3.45Å; F14-V113 VanDerWaalsContact CE2-CG2 3.45Å; F14-V113 HydrophobicContact CZ-CG2 3.91Å
15S48.1Very low48.7Very low13 Ų1355.1 Ų55.19%0.09130%0.295CS..Hα-helixtrans-63.5-41.4-179.4-64.30000112.4I11 Q12 L13 S19 V40I11-S15 VanDerWaalsContact O-CB 3.24Å; I11-S15 WeakPolarHBondContact O-CB 3.24Å; I11-S15 PolarHBondContact O-N 3.16Å; I11-S15 PolarHBondContact O-OG 2.91Å; Q12-S15 PolarHBondContact O-N 2.79Å; L13-S15 VanDerWaalsContact C-N 3.3Å; L13-S15 PolarHBondContact O-N 3.27Å; S15-S19 VanDerWaalsContact O-CB 3.3Å; S15-S19 WeakPolarHBondContact O-CB 2.94Å; S15-S19 PolarHBondContact O-N 2.81Å; S15-S19 PolarHBondContact O-OG 2.03Å; S15-V40 WeakPolarHBondContact OG-CG1 3.45Å
16M45.7Very low48.2Very low136 Ų13651.7 Ų51.767%0.6727%0.271SS*.Hα-helixtrans-63.2-45.8173.8-76.8-179.961.400111.3Q12 L13 F14 S19 A20Q12-M16 WeakPolarHBondContact O-CB 2.87Å; Q12-M16 WeakPolarHBondContact O-CG 3.44Å; Q12-M16 PolarHBondContact O-N 3.45Å; L13-M16 PolarHBondContact O-N 2.83Å; F14-M16 PolarHBondContact O-N 3.49Å; M16-S19 PolarHBondContact O-N 3.04Å; M16-A20 WeakPolarHBondContact O-CB 3.43Å; M16-A20 PolarHBondContact O-N 3.01Å
17V49.1Very low48.3Very low18 Ų1852.9 Ų52.911%0.10927%0.268CS..Hα-helixtrans-67.2-46.4-178.6179.20000110.9L13 F14 S19 A20 C21 L104 L109L13-V17 WeakPolarHBondContact O-CG2 2.89Å; L13-V17 PolarHBondContact O-N 2.83Å; F14-V17 PolarHBondContact O-N 3.47Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.13Å; V17-A20 PolarHBondContact O-N 2.88Å; V17-C21 VanDerWaalsContact O-CB 3.27Å; V17-C21 WeakPolarHBondContact O-CB 3.22Å; V17-C21 PolarHBondContact O-N 2.86Å; V17-C21 PolarHBondContact O-SG 2.02Å; V17-L104 HydrophobicContact CG2-CD2 3.62Å; V17-L109 HydrophobicContact CB-CD1 3.8Å; V17-L109 HydrophobicContact CG1-CD1 3.47Å; V17-L109 VanDerWaalsContact CG1-CD1 3.47Å
18A50.3Low48.3Very low1 Ų156.1 Ų56.11%0.00828%0.28CS..Hα-helixtrans-58-45.3175.200000110.9F14 C21 C22 L50 L109F14-A18 HydrophobicContact CD1-CB 4.37Å; F14-A18 HydrophobicContact CE1-CB 4.19Å; F14-A18 VanDerWaalsContact O-CB 3.29Å; F14-A18 WeakPolarHBondContact O-CB 3.43Å; F14-A18 PolarHBondContact O-N 3.16Å; A18-C21 PolarHBondContact O-N 2.02Å; A18-C22 WeakPolarHBondContact O-CB 3.41Å; A18-C22 PolarHBondContact O-N 3.36Å; A18-C22 PolarHBondContact O-SG 3.26Å; A18-L50 HydrophobicContact CB-CD1 3.88Å; A18-L109 HydrophobicContact CB-CD1 4.1Å; A18-L109 HydrophobicContact CB-CD2 4.19Å
19S48.4Very low48Very low20 Ų2055.6 Ų55.614%0.1428%0.278CS..Hα-helixtrans-61.4-45.5176.1-67.80000113S15 M16 V17 C21 C22 S23 L50S15-S19 VanDerWaalsContact O-CB 3.3Å; S15-S19 WeakPolarHBondContact O-CB 2.94Å; S15-S19 PolarHBondContact O-N 2.81Å; S15-S19 PolarHBondContact O-OG 2.03Å; M16-S19 PolarHBondContact O-N 3.04Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 3.13Å; S19-C21 VanDerWaalsContact C-N 3.35Å; S19-C21 PolarHBondContact O-N 3.32Å; S19-C22 PolarHBondContact O-N 2.94Å; S19-S23 VanDerWaalsContact O-CB 3.31Å; S19-S23 WeakPolarHBondContact O-CB 3.41Å; S19-S23 PolarHBondContact O-N 3.41Å; S19-L50 WeakPolarHBondContact OG-CD2 3.24Å
20A49.5Very low47.9Very low54 Ų5453 Ų5345%0.44626%0.264SS..Hα-helixtrans-63.7-41.5178.300000111.8M16 V17 S23 T24M16-A20 WeakPolarHBondContact O-CB 3.43Å; M16-A20 PolarHBondContact O-N 3.01Å; V17-A20 PolarHBondContact O-N 2.88Å; A20-S23 PolarHBondContact O-N 3.39Å; A20-T24 WeakPolarHBondContact O-CB 3.08Å; A20-T24 PolarHBondContact O-N 3.06Å; A20-T24 PolarHBondContact O-OG1 3.49Å
21C48.3Very low47.9Very low12 Ų1251.6 Ų51.68%0.08127%0.269CS..Hα-helixtrans-61.4-50.3175.7-80.70000112.1V17 A18 S19 S23 T24 C25 C106V17-C21 VanDerWaalsContact O-CB 3.27Å; V17-C21 WeakPolarHBondContact O-CB 3.22Å; V17-C21 PolarHBondContact O-N 2.86Å; V17-C21 PolarHBondContact O-SG 2.02Å; A18-C21 PolarHBondContact O-N 2.02Å; S19-C21 VanDerWaalsContact C-N 3.35Å; S19-C21 PolarHBondContact O-N 3.32Å; C21-S23 PolarHBondContact O-N 3Å; C21-T24 PolarHBondContact O-N 2.04Å; C21-C25 WeakPolarHBondContact O-CB 3.01Å; C21-C25 PolarHBondContact O-N 3.37Å; C21-C25 PolarHBondContact O-SG 3.41Å; C21-C25 VanDerWaalsContact O-SG 3.36Å; C21-C106 WeakPolarHBondContact CA-SG 3.4Å; C21-C106 HydrophobicContact CB-CB 3.87Å; C21-C106 WeakPolarHBondContact CB-SG 3.4Å; C21-C106 WeakPolarHBondContact SG-CA 3.12Å; C21-C106 WeakPolarHBondContact SG-CB 3.36Å; C21-C106 CovalentContact SG-SG 2.02Å; C21-C106 PolarHBondContact SG-SG 3.33Å
22C49.9Very low47.9Very low0 Ų059.3 Ų59.30%030%0.304CS..Hα-helixtrans-67.6-37.9179.8-57.60000111.3A18 S19 T24 C26 C63 F65A18-C22 WeakPolarHBondContact O-CB 3.41Å; A18-C22 PolarHBondContact O-N 3.36Å; A18-C22 PolarHBondContact O-SG 3.26Å; S19-C22 PolarHBondContact O-N 2.94Å; C22-T24 VanDerWaalsContact C-N 3.35Å; C22-T24 PolarHBondContact O-N 3.44Å; C22-C26 WeakPolarHBondContact O-CB 3.38Å; C22-C26 PolarHBondContact O-N 2.91Å; C22-C26 PolarHBondContact O-SG 3.19Å; C22-C63 WeakPolarHBondContact CA-SG 3.46Å; C22-C63 HydrophobicContact CB-CB 3.68Å; C22-C63 WeakPolarHBondContact CB-SG 3.27Å; C22-C63 WeakPolarHBondContact SG-CB 2.8Å; C22-C63 CovalentContact SG-SG 2.04Å; C22-C63 PolarHBondContact SG-SG 2.9Å; C22-F65 HydrophobicContact CB-CE2 3.94Å; C22-F65 HydrophobicContact CB-CZ 4.19Å
23S50.4Low47.6Very low15 Ų1554.9 Ų54.911%0.10529%0.285CS..Hα-helixtrans-60.5-41.7171.7-173.90000112.5S19 A20 C21 R27S19-S23 VanDerWaalsContact O-CB 3.31Å; S19-S23 WeakPolarHBondContact O-CB 3.41Å; S19-S23 PolarHBondContact O-N 3.41Å; A20-S23 PolarHBondContact O-N 3.39Å; C21-S23 PolarHBondContact O-N 3Å; S23-R27 VanDerWaalsContact O-CB 3.31Å; S23-R27 WeakPolarHBondContact O-CB 3.08Å; S23-R27 PolarHBondContact O-N 2.87Å; S23-R27 PolarHBondContact OG-NH2 2.93Å
24T50.2Low47.4Very low69 Ų6958.7 Ų58.742%0.42330%0.298SS..Hα-helixtrans-73-44-179.3-54.70000111.7A20 C21 C22 R27 R28A20-T24 WeakPolarHBondContact O-CB 3.08Å; A20-T24 PolarHBondContact O-N 3.06Å; A20-T24 PolarHBondContact O-OG1 3.49Å; C21-T24 PolarHBondContact O-N 2.04Å; C22-T24 VanDerWaalsContact C-N 3.35Å; C22-T24 PolarHBondContact O-N 3.44Å; T24-R27 PolarHBondContact O-N 2.9Å; T24-R28 PolarHBondContact O-N 2.88Å
25C47.7Very low47.1Very low8 Ų859.2 Ų59.25%0.05430%0.3CS..Hα-helixtrans-59.7-46.2172.9-73.50000111.1C21 R28 L29 C80C21-C25 WeakPolarHBondContact O-CB 3.01Å; C21-C25 PolarHBondContact O-N 3.37Å; C21-C25 PolarHBondContact O-SG 3.41Å; C21-C25 VanDerWaalsContact O-SG 3.36Å; C25-R28 PolarHBondContact O-N 2.83Å; C25-L29 WeakPolarHBondContact O-CG 3.47Å; C25-L29 PolarHBondContact O-N 3.5Å; C25-C80 HydrophobicContact CB-CB 3.88Å; C25-C80 WeakPolarHBondContact CB-SG 3.26Å; C25-C80 WeakPolarHBondContact SG-CB 3.36Å; C25-C80 CovalentContact SG-SG 2.02Å; C25-C80 PolarHBondContact SG-SG 3.02Å
26C45.6Very low46.8Very low4 Ų465.5 Ų65.53%0.02733%0.328CS..Hα-helixtrans-67.8-39.9178.2-69.60000112.7C22 R28 L29 L30 M35 L58 C62C22-C26 WeakPolarHBondContact O-CB 3.38Å; C22-C26 PolarHBondContact O-N 2.91Å; C22-C26 PolarHBondContact O-SG 3.19Å; C26-R28 PolarHBondContact O-N 3.36Å; C26-L29 PolarHBondContact O-N 2.71Å; C26-L29 VanDerWaalsContact O-N 3.16Å; C26-L30 WeakPolarHBondContact O-CB 3.36Å; C26-L30 PolarHBondContact O-N 3.38Å; C26-M35 HydrophobicContact CB-CE 4.47Å; C26-M35 HydrophobicContact CB-SD 3.96Å; C26-L58 HydrophobicContact CB-CD2 4.12Å; C26-C62 WeakPolarHBondContact CA-SG 3.34Å; C26-C62 HydrophobicContact CB-CB 4.4Å; C26-C62 WeakPolarHBondContact CB-SG 3.3Å; C26-C62 WeakPolarHBondContact SG-CB 3.46Å; C26-C62 CovalentContact SG-SG 2.03Å; C26-C62 PolarHBondContact SG-SG 2.94Å
27R47.8Very low46.8Very low140 Ų14061.4 Ų61.453%0.52831%0.311SS..Hα-helixtrans-60.2-36.1173.6-96.8-175.3-93.4-165.1-9.1112.4S23 T24 G31S23-R27 VanDerWaalsContact O-CB 3.31Å; S23-R27 WeakPolarHBondContact O-CB 3.08Å; S23-R27 PolarHBondContact O-N 2.87Å; S23-R27 PolarHBondContact OG-NH2 2.93Å; T24-R27 PolarHBondContact O-N 2.9Å; R27-G31 CarbonylContact C-O 3.49Å; R27-G31 WeakPolarHBondContact CA-O 3.32Å; R27-G31 CarbonylContact O-C 3.52Å; R27-G31 VanDerWaalsContact O-C 3.27Å; R27-G31 WeakPolarHBondContact O-CA 3.49Å; R27-G31 PolarHBondContact O-N 3.02Å
28R45Very low46.6Very low164 Ų16467.2 Ų67.262%0.61933%0.332SS*.Hα-helixtrans-70.2-36.7175.3-74.5-179.5175.3174.7-4112.8T24 C25 C26 H82T24-R28 PolarHBondContact O-N 2.88Å; C25-R28 PolarHBondContact O-N 2.83Å; C26-R28 PolarHBondContact O-N 3.36Å; R28-H82 PolarHBondContact NH1-CD2 3.36Å; R28-H82 PolarHBondContact NH1-CE1 3.42Å; R28-H82 PolarHBondContact NH1-NE2 2.8Å
29L42.9Very low46.2Very low94 Ų9470.9 Ų70.949%0.49235%0.351SS..Hα-helixtrans-81.9-33.4-179.4-70.2171.4000113.8C25 C26 P59 H61C25-L29 WeakPolarHBondContact O-CG 3.47Å; C25-L29 PolarHBondContact O-N 3.5Å; C26-L29 PolarHBondContact O-N 2.71Å; C26-L29 VanDerWaalsContact O-N 3.16Å; L29-P59 HydrophobicContact CB-CG 4.09Å; L29-P59 HydrophobicContact CD1-CG 4.46Å; L29-H61 HydrophobicContact CD1-CB 4.02Å
30L44.9Very low45.9Very low46 Ų4672.4 Ų72.424%0.24136%0.359CS..Hα-helixtrans-102.3-9.4-175.7-75178.8000114C26 V33 L58 P59C26-L30 WeakPolarHBondContact O-CB 3.36Å; C26-L30 PolarHBondContact O-N 3.38Å; L30-V33 HydrophobicContact CB-CB 3.97Å; L30-V33 HydrophobicContact CB-CG2 3.73Å; L30-V33 HydrophobicContact CD1-CB 4.22Å; L30-V33 HydrophobicContact CD1-CG1 4.26Å; L30-V33 HydrophobicContact CD1-CG2 4.44Å; L30-V33 WeakPolarHBondContact O-CG2 3.14Å; L30-L58 HydrophobicContact CD1-CD2 3.37Å; L30-L58 HydrophobicContact CD1-CG 4.16Å; L30-P59 HydrophobicContact CD2-CG 4.13Å; L30-P59 HydrophobicContact CG-CG 4.21Å
31G48.6Very low45.6Very low35 Ų3572.2 Ų72.236%0.36136%0.355SS..SBendtrans77.8-153.5-166.100000112.3R27 V33R27-G31 CarbonylContact C-O 3.49Å; R27-G31 WeakPolarHBondContact CA-O 3.32Å; R27-G31 CarbonylContact O-C 3.52Å; R27-G31 VanDerWaalsContact O-C 3.27Å; R27-G31 WeakPolarHBondContact O-CA 3.49Å; R27-G31 PolarHBondContact O-N 3.02Å; G31-V33 PolarHBondContact O-N 2.74Å
32H47.3Very low45.3Very low194 Ų19474.4 Ų74.490%0.89837%0.365SS*.SBendtrans-70.436.8-178-62.8-87.5000114.6K34H32-K34 PolarHBondContact O-N 2.78Å
33V41.2Very low44.8Very low24 Ų2480.9 Ų80.915%0.14539%0.39CS..  trans-72.4122177.3179.40000109.2L30 G31 M35 S54 K56L30-V33 HydrophobicContact CB-CB 3.97Å; L30-V33 HydrophobicContact CB-CG2 3.73Å; L30-V33 HydrophobicContact CD1-CB 4.22Å; L30-V33 HydrophobicContact CD1-CG1 4.26Å; L30-V33 HydrophobicContact CD1-CG2 4.44Å; L30-V33 WeakPolarHBondContact O-CG2 3.14Å; G31-V33 PolarHBondContact O-N 2.74Å; V33-M35 PolarHBondContact O-N 2.97Å; V33-S54 WeakPolarHBondContact CG1-OG 3.41Å; V33-K56 HydrophobicContact CG2-CD 4.25Å
34K44.7Very low44.2Very low173 Ų17386.5 Ų86.575%0.75242%0.419SS*.  trans-68.1123.8170.6-67.1-176.3179.6-178.70108.2H32H32-K34 PolarHBondContact O-N 2.78Å
35M43.5Very low43.7Very low24 Ų2488.9 Ų88.912%0.11843%0.425CS..EExtended strand (participates in β ladder)trans-123.8120.8178.1-164.8175.786.200107.6C26 V33 V37 A52 L58 F65C26-M35 HydrophobicContact CB-CE 4.47Å; C26-M35 HydrophobicContact CB-SD 3.96Å; V33-M35 PolarHBondContact O-N 2.97Å; M35-V37 HydrophobicContact CE-CG2 4.44Å; M35-A52 HydrophobicContact CE-CB 4.18Å; M35-A52 HydrophobicContact CG-CB 3.77Å; M35-A52 HydrophobicContact SD-CB 4.2Å; M35-L58 HydrophobicContact SD-CD1 4.31Å; M35-L58 HydrophobicContact SD-CD2 3.67Å; M35-F65 HydrophobicContact CE-CD2 4.47Å; M35-F65 HydrophobicContact CE-CE2 3.39Å; M35-F65 HydrophobicContact CE-CZ 3.42Å; M35-F65 VanDerWaalsContact CE-CZ 3.42Å; M35-F65 HydrophobicContact SD-CD2 4.36Å; M35-F65 HydrophobicContact SD-CE2 3.79Å; M35-F65 HydrophobicContact SD-CZ 4.19Å
36E41.2Very low43.1Very low144 Ų14497.1 Ų97.167%0.67346%0.455SS*.EExtended strand (participates in β ladder)trans-107.1114.5177.5-74.1-176.316400108.7A52 R53E36-A52 CarbonylContact O-C 3.52Å; E36-A52 VanDerWaalsContact O-CA 3.22Å; E36-A52 WeakPolarHBondContact O-CA 3.29Å; E36-A52 WeakPolarHBondContact O-CB 3.44Å; E36-R53 PolarHBondContact N-O 2.73Å; E36-R53 VanDerWaalsContact N-O 3.11Å; E36-R53 PolarHBondContact O-N 3.47Å
37V46.2Very low42.7Very low51 Ų5199.8 Ų99.831%0.30947%0.466SS..EExtended strand (participates in β ladder)trans-80.8116.6170.3-174.20000106.7M35 V40 L50 A52 F65M35-V37 HydrophobicContact CE-CG2 4.44Å; V37-V40 HydrophobicContact CG1-CG2 3.97Å; V37-L50 HydrophobicContact CG1-CD2 4.35Å; V37-A52 HydrophobicContact CB-CB 4.42Å; V37-A52 HydrophobicContact CG2-CB 3.99Å; V37-F65 HydrophobicContact CG2-CZ 4.44Å
38Y45.9Very low42.3Very low140 Ų14093.8 Ų93.855%0.54944%0.444SS..EExtended strand (participates in β ladder)trans-110.5-13.8-176.262.4-92.2000113L51 R53Y38-L51 HydrophobicContact CE1-CB 4.17Å; Y38-L51 HydrophobicContact CE2-CB 3.97Å; Y38-L51 HydrophobicContact CE2-CD1 4.33Å; Y38-L51 PolarHBondContact N-O 3.07Å; Y38-R53 HydrophobicContact CD1-CB 4.21Å; Y38-R53 HydrophobicContact CE1-CB 4.05Å
39N40.5Very low42.2Very low78 Ų7888.3 Ų88.342%0.41743%0.429SS..EExtended strand (participates in β ladder)trans-149.5139.3175.6-162.6-15.2000111.2L51N39-L51 HydrophobicContact CB-CB 4.12Å; N39-L51 HydrophobicContact CB-CD1 4.11Å; N39-L51 HydrophobicContact CB-CG 4.5Å; N39-L51 PolarHBondContact N-O 3.43Å; N39-L51 PolarHBondContact O-N 2.78Å
40V43.6Very low42.1Very low51 Ų5184.3 Ų84.331%0.30941%0.408SS..EExtended strand (participates in β ladder)trans-128.9109.6173-174.90000107.5S15 V37 I48 T49 L50S15-V40 WeakPolarHBondContact OG-CG1 3.45Å; V37-V40 HydrophobicContact CG1-CG2 3.97Å; V40-I48 HydrophobicContact CG1-CG2 3.29Å; V40-T49 WeakPolarHBondContact CA-O 3.43Å; V40-L50 HydrophobicContact CB-CD2 3.93Å; V40-L50 HydrophobicContact CG1-CD2 3.51Å; V40-L50 HydrophobicContact CG2-CD2 3.34Å
41S42.3Very low42.2Very low50 Ų5084.4 Ų84.435%0.3541%0.409SS..EExtended strand (participates in β ladder)trans-110.2136.9176.865.60000110.6I48 T49S41-I48 CarbonylContact O-C 3.57Å; S41-I48 WeakPolarHBondContact O-CA 3.22Å; S41-T49 PolarHBondContact N-O 2.84Å; S41-T49 PolarHBondContact O-N 3.3Å; S41-T49 WeakPolarHBondContact OG-CB 3.25Å
42I41.9Very low41.9Very low59 Ų5983.5 Ų83.530%0.30340%0.398SS..EExtended strand (participates in β ladder)trans-104119.4172.9-58-168000108.4I11 K47 I48I11-I42 HydrophobicContact CB-CD1 3.8Å; I11-I42 HydrophobicContact CD1-CD1 3.78Å; I11-I42 HydrophobicContact CG1-CD1 3.45Å; I11-I42 VanDerWaalsContact CG1-CD1 3.45Å; I11-I42 HydrophobicContact CG2-CD1 3.29Å; I11-I42 HydrophobicContact CG2-CG1 4.36Å; I42-K47 CarbonylContact C-O 3.02Å; I42-K47 VanDerWaalsContact CA-O 3.28Å; I42-K47 WeakPolarHBondContact CA-O 3.2Å; I42-I48 HydrophobicContact CD1-CD1 3.5Å; I42-I48 VanDerWaalsContact CD1-CD1 3.5Å; I42-I48 HydrophobicContact CD1-CG1 4.04Å; I42-I48 HydrophobicContact CG1-CD1 3.76Å; I42-I48 HydrophobicContact CG1-CG1 3.88Å; I42-I48 HydrophobicContact CG1-CG2 4.48Å
43W38.5Very low41.7Very low136 Ų13683.2 Ų83.252%0.51539%0.389SS..EExtended strand (participates in β ladder)trans-101.8123.1170.5-173.959.9000109.4Q45 K47 P72W43-Q45 PolarHBondContact O-N 3Å; W43-K47 HydrophobicContact CE3-CD 3.94Å; W43-K47 HydrophobicContact CE3-CG 4.45Å; W43-K47 HydrophobicContact CZ3-CD 4.18Å; W43-K47 PolarHBondContact N-O 3.49Å; W43-K47 PolarHBondContact O-N 3.03Å; W43-P72 HydrophobicContact CE3-CB 4.12Å; W43-P72 HydrophobicContact CZ3-CB 4.17Å; W43-P72 HydrophobicContact CZ3-CG 4.33Å
44N39.4Very low41.7Very low132 Ų13283.1 Ų83.171%0.70639%0.389SS*.THydrogen-bonded Turntrans47.649170.1-965.3000116R46N44-R46 PolarHBondContact O-N 3.2Å
45Q38.3Very low41.7Very low119 Ų11984.8 Ų84.856%0.55639%0.392SS*.THydrogen-bonded Turntrans59.9-13.9173.6-57.2-174.2-23.100117.1W7 W43W7-Q45 HydrophobicContact CH2-CB 4.38Å; W7-Q45 HydrophobicContact CH2-CG 4.46Å; W7-Q45 HydrophobicContact CZ2-CB 4.05Å; W7-Q45 HydrophobicContact CZ2-CG 3.8Å; W43-Q45 PolarHBondContact O-N 3Å
46R36Very low41.6Very low182 Ų18290.1 Ų90.169%0.68741%0.414SS*.THydrogen-bonded Turntrans-115-16.7-173-68-166.3170.1-158.82.9114N44 E117N44-R46 PolarHBondContact O-N 3.2Å; R46-E117 IonicContact CZ-OE1 3.01Å; R46-E117 IonicContact NE-OE1 3.55Å; R46-E117 IonicContact NH1-OE1 2.72Å; R46-E117 PolarHBondContact NH1-OE1 3.43Å; R46-E117 IonicContact NH2-OE1 3.47Å; R46-E117 PolarHBondContact NH2-OE1 3.47Å
47K37.3Very low41.9Very low59 Ų5988.7 Ų88.726%0.25742%0.418SS..EExtended strand (participates in β ladder)trans-124.1126.8-178.3-60.4-163.4-170.7177.40111I42 W43I42-K47 CarbonylContact C-O 3.02Å; I42-K47 VanDerWaalsContact CA-O 3.28Å; I42-K47 WeakPolarHBondContact CA-O 3.2Å; W43-K47 HydrophobicContact CE3-CD 3.94Å; W43-K47 HydrophobicContact CE3-CG 4.45Å; W43-K47 HydrophobicContact CZ3-CD 4.18Å; W43-K47 PolarHBondContact N-O 3.49Å; W43-K47 PolarHBondContact O-N 3.03Å
48I39.6Very low41.7Very low15 Ų1588.5 Ų88.58%0.07742%0.415CS..EExtended strand (participates in β ladder)trans-106.6118.1166-51.8-147.7000108.8F14 V40 S41 I42 L50 L75F14-I48 HydrophobicContact CD1-CD1 3.03Å; F14-I48 HydrophobicContact CD1-CG1 3.95Å; F14-I48 HydrophobicContact CE1-CB 4.24Å; F14-I48 HydrophobicContact CE1-CD1 3.23Å; F14-I48 HydrophobicContact CE1-CG1 3.6Å; F14-I48 HydrophobicContact CG-CD1 4.1Å; F14-I48 HydrophobicContact CZ-CD1 4.43Å; V40-I48 HydrophobicContact CG1-CG2 3.29Å; S41-I48 CarbonylContact O-C 3.57Å; S41-I48 WeakPolarHBondContact O-CA 3.22Å; I42-I48 HydrophobicContact CD1-CD1 3.5Å; I42-I48 VanDerWaalsContact CD1-CD1 3.5Å; I42-I48 HydrophobicContact CD1-CG1 4.04Å; I42-I48 HydrophobicContact CG1-CD1 3.76Å; I42-I48 HydrophobicContact CG1-CG1 3.88Å; I42-I48 HydrophobicContact CG1-CG2 4.48Å; I48-L50 HydrophobicContact CG2-CD2 4.07Å; I48-L50 HydrophobicContact CG2-CG 4.24Å; I48-L75 HydrophobicContact CB-CD1 3.91Å; I48-L75 WeakPolarHBondContact O-CD1 3.23Å; I48-L75 WeakPolarHBondContact O-CG 3.2Å
49T42Very low41.6Very low48 Ų4883.9 Ų83.929%0.29440%0.402SS..EExtended strand (participates in β ladder)trans-91.3110169.2-50.40000107.7V40 S41 L51V40-T49 WeakPolarHBondContact CA-O 3.43Å; S41-T49 PolarHBondContact N-O 2.84Å; S41-T49 PolarHBondContact O-N 3.3Å; S41-T49 WeakPolarHBondContact OG-CB 3.25Å; T49-L51 HydrophobicContact CG2-CD2 4.07Å; T49-L51 HydrophobicContact CG2-CG 4.28Å
50L41.7Very low41.5Very low11 Ų1191.2 Ų91.26%0.05842%0.424CS..EExtended strand (participates in β ladder)trans-88.8121.6166.9-63.7176.3000108.1A18 S19 V37 V40 I48 F65A18-L50 HydrophobicContact CB-CD1 3.88Å; S19-L50 WeakPolarHBondContact OG-CD2 3.24Å; V37-L50 HydrophobicContact CG1-CD2 4.35Å; V40-L50 HydrophobicContact CB-CD2 3.93Å; V40-L50 HydrophobicContact CG1-CD2 3.51Å; V40-L50 HydrophobicContact CG2-CD2 3.34Å; I48-L50 HydrophobicContact CG2-CD2 4.07Å; I48-L50 HydrophobicContact CG2-CG 4.24Å; L50-F65 HydrophobicContact CB-CD1 4.37Å; L50-F65 HydrophobicContact CB-CE1 3.65Å; L50-F65 HydrophobicContact CB-CZ 4.18Å; L50-F65 WeakPolarHBondContact O-CD1 3.37Å; L50-F65 WeakPolarHBondContact O-CE1 3.24Å
51L46.7Very low41.3Very low47 Ų4794.6 Ų94.625%0.24644%0.436CS..EExtended strand (participates in β ladder)trans-103.2114.7168.9-61.7176.5000107.9Y38 N39 T49Y38-L51 HydrophobicContact CE1-CB 4.17Å; Y38-L51 HydrophobicContact CE2-CB 3.97Å; Y38-L51 HydrophobicContact CE2-CD1 4.33Å; Y38-L51 PolarHBondContact N-O 3.07Å; N39-L51 HydrophobicContact CB-CB 4.12Å; N39-L51 HydrophobicContact CB-CD1 4.11Å; N39-L51 HydrophobicContact CB-CG 4.5Å; N39-L51 PolarHBondContact N-O 3.43Å; N39-L51 PolarHBondContact O-N 2.78Å; T49-L51 HydrophobicContact CG2-CD2 4.07Å; T49-L51 HydrophobicContact CG2-CG 4.28Å
52A43.1Very low41.1Very low16 Ų1692.3 Ų92.313%0.13242%0.42CS..EExtended strand (participates in β ladder)trans-122.6147.8171.400000110.6M35 E36 V37 F65M35-A52 HydrophobicContact CE-CB 4.18Å; M35-A52 HydrophobicContact CG-CB 3.77Å; M35-A52 HydrophobicContact SD-CB 4.2Å; E36-A52 CarbonylContact O-C 3.52Å; E36-A52 VanDerWaalsContact O-CA 3.22Å; E36-A52 WeakPolarHBondContact O-CA 3.29Å; E36-A52 WeakPolarHBondContact O-CB 3.44Å; V37-A52 HydrophobicContact CB-CB 4.42Å; V37-A52 HydrophobicContact CG2-CB 3.99Å; A52-F65 HydrophobicContact CB-CD1 3.47Å; A52-F65 VanDerWaalsContact CB-CD1 3.47Å; A52-F65 HydrophobicContact CB-CE1 3.01Å; A52-F65 HydrophobicContact CB-CE2 4.25Å; A52-F65 HydrophobicContact CB-CG 4.27Å; A52-F65 HydrophobicContact CB-CZ 3.46Å; A52-F65 VanDerWaalsContact CB-CZ 3.46Å
53R41.2Very low41Very low189 Ų18989.9 Ų89.971%0.71341%0.408SS*.EExtended strand (participates in β ladder)trans-100.7135.7170.3-152.4174.5-147.41796.1108.9E36 Y38E36-R53 PolarHBondContact N-O 2.73Å; E36-R53 VanDerWaalsContact N-O 3.11Å; E36-R53 PolarHBondContact O-N 3.47Å; Y38-R53 HydrophobicContact CD1-CB 4.21Å; Y38-R53 HydrophobicContact CE1-CB 4.05Å
54S42.5Very low40.7Very low21 Ų2186.2 Ų86.215%0.14740%0.401CS..EExtended strand (participates in β ladder)trans-129.8141.5167.8164.40000107.2V33 K56V33-S54 WeakPolarHBondContact CG1-OG 3.41Å; S54-K56 WeakPolarHBondContact CB-O 3.32Å; S54-K56 PolarHBondContact O-N 2.78Å; S54-K56 PolarHBondContact OG-N 3.3Å; S54-K56 VanDerWaalsContact OG-N 3.15Å; S54-K56 PolarHBondContact OG-O 3.36Å
55Y43.6Very low40.4Very low209 Ų20981.4 Ų81.482%0.8237%0.374SS*.SBendtrans-70.8-6.5174.9-67.1-85.6000112.9
56K42.5Very low39.8Very low135 Ų13581 Ų8159%0.58737%0.367SS*.SBendtrans-126.5149.3175.1-69.2-175.3179.8-178.80110.7V33 S54 L58V33-K56 HydrophobicContact CG2-CD 4.25Å; S54-K56 WeakPolarHBondContact CB-O 3.32Å; S54-K56 PolarHBondContact O-N 2.78Å; S54-K56 PolarHBondContact OG-N 3.3Å; S54-K56 VanDerWaalsContact OG-N 3.15Å; S54-K56 PolarHBondContact OG-O 3.36Å; K56-L58 PolarHBondContact O-N 3.29Å
57P46.4Very low39.4Very low115 Ų11579.9 Ų79.975%0.74737%0.369SS*.PPolyproline II helixtrans-56.6126174.123.2-32.3000110.2
58L43.1Very low38.9Very low46 Ų4683.7 Ų83.724%0.24139%0.393CS..PPolyproline II helixtrans-74.2133.1176.9-75.2149.6000109.1C26 L30 M35 K56 C62 F65C26-L58 HydrophobicContact CB-CD2 4.12Å; L30-L58 HydrophobicContact CD1-CD2 3.37Å; L30-L58 HydrophobicContact CD1-CG 4.16Å; M35-L58 HydrophobicContact SD-CD1 4.31Å; M35-L58 HydrophobicContact SD-CD2 3.67Å; K56-L58 PolarHBondContact O-N 3.29Å; L58-C62 HydrophobicContact CB-CB 4.37Å; L58-C62 HydrophobicContact CD2-CB 4.12Å; L58-F65 HydrophobicContact CD1-CB 3.99Å; L58-F65 HydrophobicContact CD1-CD2 4.03Å; L58-F65 HydrophobicContact CD1-CG 4.11Å
59P43.1Very low38.2Very low44 Ų4484.6 Ų84.629%0.28640%0.4SS..PPolyproline II helixtrans-58.9144.4171.624.2-33.5000108.8L29 L30 H61 C62L29-P59 HydrophobicContact CB-CG 4.09Å; L29-P59 HydrophobicContact CD1-CG 4.46Å; L30-P59 HydrophobicContact CD2-CG 4.13Å; L30-P59 HydrophobicContact CG-CG 4.21Å; P59-H61 PolarHBondContact O-N 2.9Å; P59-C62 WeakPolarHBondContact O-CB 3.31Å; P59-C62 PolarHBondContact O-N 3.46Å
60R38.7Very low37.4Very low232 Ų23289.4 Ų89.488%0.87543%0.429SS*.THydrogen-bonded Turntrans-54.1-16.2178.7-83.8-179.3158.9170.8-5.6114.4
61H39.5Very low36.5Very low121 Ų12192.7 Ų92.756%0.5645%0.45SS*.THydrogen-bonded Turntrans-85.9-17.2179.4-57.2-67.9000114.1L29 P59 C63 A79 C80L29-H61 HydrophobicContact CD1-CB 4.02Å; P59-H61 PolarHBondContact O-N 2.9Å; H61-C63 PolarHBondContact O-N 3.49Å; H61-A79 CarbonylContact O-C 3.27Å; H61-A79 WeakPolarHBondContact O-CB 3.29Å; H61-C80 PolarHBondContact O-N 2.88Å
62C37.3Very low35.5Very low3 Ų393.3 Ų93.32%0.0246%0.456CS..SBendtrans-62.2133.2163.2-90.70000108.3C26 L58 P59 V64C26-C62 WeakPolarHBondContact CA-SG 3.34Å; C26-C62 HydrophobicContact CB-CB 4.4Å; C26-C62 WeakPolarHBondContact CB-SG 3.3Å; C26-C62 WeakPolarHBondContact SG-CB 3.46Å; C26-C62 CovalentContact SG-SG 2.03Å; C26-C62 PolarHBondContact SG-SG 2.94Å; L58-C62 HydrophobicContact CB-CB 4.37Å; L58-C62 HydrophobicContact CD2-CB 4.12Å; P59-C62 WeakPolarHBondContact O-CB 3.31Å; P59-C62 PolarHBondContact O-N 3.46Å; C62-V64 PolarHBondContact O-N 3.35Å
63C41.3Very low34.7Very low8 Ų895.8 Ų95.85%0.05447%0.467CS..SBendtrans-35.3119.9177.3-500000109.1C22 H61 F65C22-C63 WeakPolarHBondContact CA-SG 3.46Å; C22-C63 HydrophobicContact CB-CB 3.68Å; C22-C63 WeakPolarHBondContact CB-SG 3.27Å; C22-C63 WeakPolarHBondContact SG-CB 2.8Å; C22-C63 CovalentContact SG-SG 2.04Å; C22-C63 PolarHBondContact SG-SG 2.9Å; H61-C63 PolarHBondContact O-N 3.49Å; C63-F65 VanDerWaalsContact C-N 3.33Å; C63-F65 WeakPolarHBondContact O-CD2 3.37Å; C63-F65 PolarHBondContact O-N 3.46Å
64V32.1Very low34.1Very low59 Ų5990.5 Ų90.536%0.35846%0.457SS..  trans-49.392.9-161.4-174.60000112C62 L73 D76C62-V64 PolarHBondContact O-N 3.35Å; V64-L73 HydrophobicContact CG1-CB 4.3Å; V64-L73 HydrophobicContact CG1-CD1 3.52Å; V64-D76 HydrophobicContact CG2-CB 3.85Å
65F31.4Very low33.6Very low30 Ų3092 Ų9213%0.13246%0.463CS..  trans-84.3103.9166.8-79.9-74.5000106C22 M35 V37 L50 A52 L58 C63 H67C22-F65 HydrophobicContact CB-CE2 3.94Å; C22-F65 HydrophobicContact CB-CZ 4.19Å; M35-F65 HydrophobicContact CE-CD2 4.47Å; M35-F65 HydrophobicContact CE-CE2 3.39Å; M35-F65 HydrophobicContact CE-CZ 3.42Å; M35-F65 VanDerWaalsContact CE-CZ 3.42Å; M35-F65 HydrophobicContact SD-CD2 4.36Å; M35-F65 HydrophobicContact SD-CE2 3.79Å; M35-F65 HydrophobicContact SD-CZ 4.19Å; V37-F65 HydrophobicContact CG2-CZ 4.44Å; L50-F65 HydrophobicContact CB-CD1 4.37Å; L50-F65 HydrophobicContact CB-CE1 3.65Å; L50-F65 HydrophobicContact CB-CZ 4.18Å; L50-F65 WeakPolarHBondContact O-CD1 3.37Å; L50-F65 WeakPolarHBondContact O-CE1 3.24Å; A52-F65 HydrophobicContact CB-CD1 3.47Å; A52-F65 VanDerWaalsContact CB-CD1 3.47Å; A52-F65 HydrophobicContact CB-CE1 3.01Å; A52-F65 HydrophobicContact CB-CE2 4.25Å; A52-F65 HydrophobicContact CB-CG 4.27Å; A52-F65 HydrophobicContact CB-CZ 3.46Å; A52-F65 VanDerWaalsContact CB-CZ 3.46Å; L58-F65 HydrophobicContact CD1-CB 3.99Å; L58-F65 HydrophobicContact CD1-CD2 4.03Å; L58-F65 HydrophobicContact CD1-CG 4.11Å; C63-F65 VanDerWaalsContact C-N 3.33Å; C63-F65 WeakPolarHBondContact O-CD2 3.37Å; C63-F65 PolarHBondContact O-N 3.46Å; F65-H67 PolarHBondContact O-N 2.89Å
66R26.6Very low33Very low111 Ų11186.2 Ų86.242%0.41945%0.447SS..  trans-82.2115.9172.7-144.7-175.4169.9166-7.8110D68 S69 L73R66-D68 PolarHBondContact O-N 3.24Å; R66-S69 WeakPolarHBondContact CD-OG 3.38Å; R66-S69 VanDerWaalsContact CZ-CB 3.49Å; R66-S69 PolarHBondContact NE-OG 3.29Å; R66-S69 PolarHBondContact NH1-OG 2.81Å; R66-S69 VanDerWaalsContact NH1-OG 3.13Å; R66-L73 HydrophobicContact CB-CD1 3.95Å; R66-L73 HydrophobicContact CG-CD1 3.68Å
67H26.8Very low32.6Very low158 Ų15881.2 Ų81.273%0.73143%0.426SS*.SBendtrans-53121.7159.4-135.6-77.4000109.2F65 S69F65-H67 PolarHBondContact O-N 2.89Å; H67-S69 PolarHBondContact O-N 3.27Å
68D28.5Very low31.9Very low140 Ų14083.5 Ų83.575%0.74942%0.42SS*.SBendtrans45.517.6163.7-54.3-47.3000120.1R66R66-D68 PolarHBondContact O-N 3.24Å
69S23.6Very low31.4Very low33 Ų3382.2 Ų82.223%0.23142%0.416CS..  trans-111.5115.5-179.2157.80000109.4R66 H67 V71R66-S69 WeakPolarHBondContact CD-OG 3.38Å; R66-S69 VanDerWaalsContact CZ-CB 3.49Å; R66-S69 PolarHBondContact NE-OG 3.29Å; R66-S69 PolarHBondContact NH1-OG 2.81Å; R66-S69 VanDerWaalsContact NH1-OG 3.13Å; H67-S69 PolarHBondContact O-N 3.27Å; S69-V71 PolarHBondContact O-N 3.24Å; S69-V71 VanDerWaalsContact OG-CB 3.23Å; S69-V71 WeakPolarHBondContact OG-CB 3.37Å; S69-V71 WeakPolarHBondContact OG-CG2 3.4Å; S69-V71 PolarHBondContact OG-N 3.05Å
70V25.1Very low31.1Very low150 Ų15080.3 Ų80.391%0.90940%0.404SS*.  trans-60.212.3170.7-166.50000112
71V23Very low31Very low80 Ų8074.2 Ų74.249%0.48539%0.388SS..SBendtrans-93.9123-177.5-176.70000108.9S69 L73S69-V71 PolarHBondContact O-N 3.24Å; S69-V71 VanDerWaalsContact OG-CB 3.23Å; S69-V71 WeakPolarHBondContact OG-CB 3.37Å; S69-V71 WeakPolarHBondContact OG-CG2 3.4Å; S69-V71 PolarHBondContact OG-N 3.05Å; V71-L73 PolarHBondContact O-N 2.74Å
72P26.4Very low30.9Very low59 Ų5972.5 Ų72.538%0.38338%0.38SS..  trans-67.490.6175.627.8-33.9000110W43W43-P72 HydrophobicContact CE3-CB 4.12Å; W43-P72 HydrophobicContact CZ3-CB 4.17Å; W43-P72 HydrophobicContact CZ3-CG 4.33Å
73L26.5Very low30.9Very low69 Ų6972.8 Ų72.836%0.36138%0.382SS..  trans-68.3136.3168.7-79.1176.7000108.8V64 R66 V71 L75V64-L73 HydrophobicContact CG1-CB 4.3Å; V64-L73 HydrophobicContact CG1-CD1 3.52Å; R66-L73 HydrophobicContact CB-CD1 3.95Å; R66-L73 HydrophobicContact CG-CD1 3.68Å; V71-L73 PolarHBondContact O-N 2.74Å; L73-L75 PolarHBondContact O-N 2.89Å
74P28.1Very low30.6Very low78 Ų7878.2 Ų78.251%0.50640%0.401SS..  trans-54.1136.9166.224.3-30.7000108.6D76P74-D76 PolarHBondContact O-N 2.87Å
75L32.4Very low30.8Very low51 Ų5182.2 Ų82.227%0.26741%0.414SS..  trans-60.891.3167.4-101.2144.1000107.1I48 L73 L77I48-L75 HydrophobicContact CB-CD1 3.91Å; I48-L75 WeakPolarHBondContact O-CD1 3.23Å; I48-L75 WeakPolarHBondContact O-CG 3.2Å; L73-L75 PolarHBondContact O-N 2.89Å; L75-L77 HydrophobicContact CB-CD1 4.31Å; L75-L77 HydrophobicContact CB-CG 4.31Å; L75-L77 HydrophobicContact CD2-CD1 4.05Å; L75-L77 HydrophobicContact CD2-CD2 4.12Å; L75-L77 HydrophobicContact CD2-CG 3.72Å; L75-L77 PolarHBondContact O-N 2.93Å
76D31.1Very low31Very low89 Ų8984.9 Ų84.948%0.47643%0.426SS..  trans-77.270.8165.5-138.5-28000106.6V64 P74 W78 A79V64-D76 HydrophobicContact CG2-CB 3.85Å; P74-D76 PolarHBondContact O-N 2.87Å; D76-W78 PolarHBondContact O-N 2.86Å; D76-W78 VanDerWaalsContact O-N 3.12Å; D76-W78 WeakPolarHBondContact OD1-CB 3.18Å; D76-A79 VanDerWaalsContact O-CB 3.31Å; D76-A79 WeakPolarHBondContact O-CB 3.36Å; D76-A79 PolarHBondContact O-N 2.81Å
77L34.6Very low31.3Very low30 Ų3080.7 Ų80.716%0.15741%0.413CS..G310 helixtrans-57-19.2173.1-86.5155000111.2L75 A79 L109L75-L77 HydrophobicContact CB-CD1 4.31Å; L75-L77 HydrophobicContact CB-CG 4.31Å; L75-L77 HydrophobicContact CD2-CD1 4.05Å; L75-L77 HydrophobicContact CD2-CD2 4.12Å; L75-L77 HydrophobicContact CD2-CG 3.72Å; L75-L77 PolarHBondContact O-N 2.93Å; L77-A79 PolarHBondContact O-N 2.75Å; L77-L109 HydrophobicContact CD1-CD2 3.86Å; L77-L109 HydrophobicContact CD2-CD2 3.6Å; L77-L109 HydrophobicContact CG-CD2 4.41Å
78W30.3Very low31.5Very low163 Ų16377.9 Ų77.962%0.61740%0.403SS*.G310 helixtrans-62.1-19.3172.9-84.442.8000114.1D76 C80D76-W78 PolarHBondContact O-N 2.86Å; D76-W78 VanDerWaalsContact O-N 3.12Å; D76-W78 WeakPolarHBondContact OD1-CB 3.18Å; W78-C80 PolarHBondContact O-N 3.13Å
79A32.3Very low31.6Very low19 Ų1976.2 Ų76.216%0.15739%0.394CS..G310 helixtrans-63.1-28.9-176.800000112.6H61 D76 L77 D81H61-A79 CarbonylContact O-C 3.27Å; H61-A79 WeakPolarHBondContact O-CB 3.29Å; D76-A79 VanDerWaalsContact O-CB 3.31Å; D76-A79 WeakPolarHBondContact O-CB 3.36Å; D76-A79 PolarHBondContact O-N 2.81Å; L77-A79 PolarHBondContact O-N 2.75Å; A79-D81 PolarHBondContact O-N 3.33Å
80C36.8Very low32.1Very low4 Ų475.6 Ų75.63%0.02739%0.387CS..  trans-83100.1171.3-170.50000110.4C25 H61 W78 H82 V83 R84C25-C80 HydrophobicContact CB-CB 3.88Å; C25-C80 WeakPolarHBondContact CB-SG 3.26Å; C25-C80 WeakPolarHBondContact SG-CB 3.36Å; C25-C80 CovalentContact SG-SG 2.02Å; C25-C80 PolarHBondContact SG-SG 3.02Å; H61-C80 PolarHBondContact O-N 2.88Å; W78-C80 PolarHBondContact O-N 3.13Å; C80-H82 PolarHBondContact O-N 3.49Å; C80-H82 WeakPolarHBondContact SG-CB 3.46Å; C80-V83 HydrophobicContact CB-CG2 3.86Å; C80-V83 WeakPolarHBondContact O-CA 3.36Å; C80-V83 VanDerWaalsContact O-CB 3.29Å; C80-V83 WeakPolarHBondContact O-CB 3.12Å; C80-V83 PolarHBondContact O-N 3.33Å; C80-R84 PolarHBondContact O-N 2.78Å
81D36.8Very low32.4Very low104 Ų10474.1 Ų74.156%0.55638%0.379SS*.Hα-helixtrans-49.5-27.4173.9-132-33.3000113A79 V83 R84 K85A79-D81 PolarHBondContact O-N 3.33Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 3.49Å; D81-R84 PolarHBondContact O-N 3.41Å; D81-K85 PolarHBondContact O-N 3.26Å
82H37.8Very low33.2Very low85 Ų8578.7 Ų78.739%0.39439%0.392SS..Hα-helixtrans-66.4-31.6175.3-143.1-78.3000113.5R28 C80 H86R28-H82 PolarHBondContact NH1-CD2 3.36Å; R28-H82 PolarHBondContact NH1-CE1 3.42Å; R28-H82 PolarHBondContact NH1-NE2 2.8Å; C80-H82 PolarHBondContact O-N 3.49Å; C80-H82 WeakPolarHBondContact SG-CB 3.46Å; H82-H86 AromaticContact CE1-CD2 3.91Å; H82-H86 AromaticContact ND1-CD2 3.9Å; H82-H86 PolarHBondContact O-N 3.16Å
83V38Very low33.4Very low8 Ų878.6 Ų78.65%0.04839%0.387CS..Hα-helixtrans-71.1-48.9171.4-1780000108.7C80 D81 K85 H86 V87 C106C80-V83 HydrophobicContact CB-CG2 3.86Å; C80-V83 WeakPolarHBondContact O-CA 3.36Å; C80-V83 VanDerWaalsContact O-CB 3.29Å; C80-V83 WeakPolarHBondContact O-CB 3.12Å; C80-V83 PolarHBondContact O-N 3.33Å; D81-V83 VanDerWaalsContact C-N 3.32Å; D81-V83 PolarHBondContact O-N 3.49Å; V83-K85 PolarHBondContact O-N 3.32Å; V83-H86 PolarHBondContact O-N 3.09Å; V83-V87 HydrophobicContact CG1-CG2 3.76Å; V83-V87 WeakPolarHBondContact O-CB 3.07Å; V83-V87 WeakPolarHBondContact O-CG2 3.28Å; V83-V87 PolarHBondContact O-N 2.87Å; V83-C106 HydrophobicContact CG2-CB 3.72Å
84R34Very low33.9Very low123 Ų12378.2 Ų78.246%0.46439%0.39SS..Hα-helixtrans-56.8-44.6-178.5-158.8177107.9137.53.5112.9C80 D81 L88C80-R84 PolarHBondContact O-N 2.78Å; D81-R84 PolarHBondContact O-N 3.41Å; R84-L88 HydrophobicContact CG-CD1 4.37Å; R84-L88 WeakPolarHBondContact O-CB 3.39Å; R84-L88 VanDerWaalsContact O-CG 3.28Å; R84-L88 WeakPolarHBondContact O-CG 3.44Å; R84-L88 PolarHBondContact O-N 2.97Å
85K36.3Very low34.2Very low142 Ų14278.2 Ų78.262%0.61740%0.397SS*.Hα-helixtrans-63.7-40.4176-77.6-178.2-179.6177.20112.9D81 V83 N89D81-K85 PolarHBondContact O-N 3.26Å; V83-K85 PolarHBondContact O-N 3.32Å; K85-N89 PolarHBondContact O-N 2.83Å
86H35.3Very low34.1Very low86 Ų8683.2 Ų83.240%0.39842%0.419SS..Hα-helixtrans-72.9-42.3178.2-97.4-78.6000112.2H82 V83 L88 N89 F90H82-H86 AromaticContact CE1-CD2 3.91Å; H82-H86 AromaticContact ND1-CD2 3.9Å; H82-H86 PolarHBondContact O-N 3.16Å; V83-H86 PolarHBondContact O-N 3.09Å; H86-L88 VanDerWaalsContact C-N 3.35Å; H86-L88 PolarHBondContact O-N 3.47Å; H86-N89 CarbonylContact O-C 3.59Å; H86-N89 PolarHBondContact O-N 3.17Å; H86-N89 VanDerWaalsContact O-N 3.09Å; H86-F90 WeakPolarHBondContact O-CB 3.09Å; H86-F90 PolarHBondContact O-N 3.5Å
87V33.4Very low34.1Very low24 Ų2483.6 Ų83.615%0.14542%0.418CS..Hα-helixtrans-55.6-51.3174.1168.90000109.7V83 N89 F90 V91 E110V83-V87 HydrophobicContact CG1-CG2 3.76Å; V83-V87 WeakPolarHBondContact O-CB 3.07Å; V83-V87 WeakPolarHBondContact O-CG2 3.28Å; V83-V87 PolarHBondContact O-N 2.87Å; V87-N89 PolarHBondContact O-N 3.45Å; V87-N89 VanDerWaalsContact O-N 3.16Å; V87-F90 CarbonylContact O-C 3.54Å; V87-F90 WeakPolarHBondContact O-CA 3.27Å; V87-F90 PolarHBondContact O-N 3.02Å; V87-V91 HydrophobicContact CG1-CG2 4.16Å; V87-V91 WeakPolarHBondContact O-CG2 3.39Å; V87-V91 PolarHBondContact O-N 3.29Å; V87-E110 WeakPolarHBondContact CG1-OE2 3.28Å; V87-E110 HydrophobicContact CG2-CG 4.32Å; V87-E110 WeakPolarHBondContact CG2-OE2 3.39Å
88L30.6Very low33.9Very low99 Ų9983.4 Ų83.452%0.51842%0.418SS..Hα-helixtrans-57.9-31.8178.1-75.8170000113.2R84 H86R84-L88 HydrophobicContact CG-CD1 4.37Å; R84-L88 WeakPolarHBondContact O-CB 3.39Å; R84-L88 VanDerWaalsContact O-CG 3.28Å; R84-L88 WeakPolarHBondContact O-CG 3.44Å; R84-L88 PolarHBondContact O-N 2.97Å; H86-L88 VanDerWaalsContact C-N 3.35Å; H86-L88 PolarHBondContact O-N 3.47Å
89N32Very low33.7Very low105 Ų10582.9 Ų82.956%0.56142%0.424SS*.Hα-helixtrans-80.3-28.2172.9-81.6-20.7000113.1K85 H86 V87 K92K85-N89 PolarHBondContact O-N 2.83Å; H86-N89 CarbonylContact O-C 3.59Å; H86-N89 PolarHBondContact O-N 3.17Å; H86-N89 VanDerWaalsContact O-N 3.09Å; V87-N89 PolarHBondContact O-N 3.45Å; V87-N89 VanDerWaalsContact O-N 3.16Å; N89-K92 PolarHBondContact O-N 3.48Å
90F33.3Very low33.5Very low19 Ų1988.7 Ų88.78%0.08345%0.453CS..Hα-helixtrans-80.4-31.1-178.5-142.2-80.6000112.7H86 V87 K92 M93 T98 H101 V111H86-F90 WeakPolarHBondContact O-CB 3.09Å; H86-F90 PolarHBondContact O-N 3.5Å; V87-F90 CarbonylContact O-C 3.54Å; V87-F90 WeakPolarHBondContact O-CA 3.27Å; V87-F90 PolarHBondContact O-N 3.02Å; F90-K92 PolarHBondContact O-N 2.94Å; F90-M93 HydrophobicContact CB-CE 4.22Å; F90-M93 HydrophobicContact CD1-CE 4.03Å; F90-M93 HydrophobicContact CD2-CE 2.95Å; F90-M93 HydrophobicContact CE1-CE 4.13Å; F90-M93 HydrophobicContact CE2-CE 3.08Å; F90-M93 HydrophobicContact CG-CE 3.48Å; F90-M93 VanDerWaalsContact CG-CE 3.48Å; F90-M93 HydrophobicContact CZ-CE 3.71Å; F90-M93 PolarHBondContact O-N 3.33Å; F90-T98 HydrophobicContact CE1-CG2 3.56Å; F90-T98 VanDerWaalsContact CE1-OG1 3.26Å; F90-T98 WeakPolarHBondContact CE1-OG1 3.28Å; F90-T98 HydrophobicContact CZ-CG2 3.86Å; F90-H101 HydrophobicContact CE2-CB 4.23Å; F90-H101 HydrophobicContact CZ-CB 4.48Å; F90-V111 HydrophobicContact CD1-CG2 4.46Å; F90-V111 HydrophobicContact CE1-CG2 4.41Å
91V31.3Very low33.1Very low120 Ų12093.4 Ų93.473%0.72747%0.474SS*.THydrogen-bonded Turntrans-60.3-14.1171.4-153.90000111.6V87V87-V91 HydrophobicContact CG1-CG2 4.16Å; V87-V91 WeakPolarHBondContact O-CG2 3.39Å; V87-V91 PolarHBondContact O-N 3.29Å
92K39.9Very low32.6Very low176 Ų17691.2 Ų91.277%0.76547%0.47SS*.THydrogen-bonded Turntrans-94.2-5.4174.2-62-174.9179.8-178.90114.6N89 F90N89-K92 PolarHBondContact O-N 3.48Å; F90-K92 PolarHBondContact O-N 2.94Å
93M31.3Very low32.2Very low56 Ų5690.8 Ų90.828%0.27648%0.481SS..SBendtrans-92.6136.1-178.3-74.6-163.3-67.600111.7F90 Q97F90-M93 HydrophobicContact CB-CE 4.22Å; F90-M93 HydrophobicContact CD1-CE 4.03Å; F90-M93 HydrophobicContact CD2-CE 2.95Å; F90-M93 HydrophobicContact CE1-CE 4.13Å; F90-M93 HydrophobicContact CE2-CE 3.08Å; F90-M93 HydrophobicContact CG-CE 3.48Å; F90-M93 VanDerWaalsContact CG-CE 3.48Å; F90-M93 HydrophobicContact CZ-CE 3.71Å; F90-M93 PolarHBondContact O-N 3.33Å; M93-Q97 HydrophobicContact CB-CB 4.15Å; M93-Q97 HydrophobicContact CG-CB 4.48Å; M93-Q97 HydrophobicContact SD-CB 4.12Å
94S35.9Very low31.9Very low62 Ų6296.6 Ų96.643%0.43451%0.511SS..  trans-63.2154.7173.264.60000110.7E96 Q97 T98S94-E96 PolarHBondContact O-N 3.44Å; S94-E96 VanDerWaalsContact O-N 3.08Å; S94-Q97 PolarHBondContact O-N 3.12Å; S94-T98 PolarHBondContact O-N 3.43Å; S94-T98 PolarHBondContact O-OG1 3.32Å
95A35.6Very low31.9Very low78 Ų7892.2 Ų92.265%0.64550%0.499SS*.Hα-helixtrans-54.9-30.1-177.800000113.6T98A95-T98 VanDerWaalsContact O-CB 3.3Å; A95-T98 WeakPolarHBondContact O-CB 3.4Å; A95-T98 PolarHBondContact O-N 2.9Å
96E29.1Very low32.1Very low156 Ų15687 Ų8773%0.72948%0.481SS*.Hα-helixtrans-69.1-38.6177.7-67.2174.215700112.4S94 T98 M99S94-E96 PolarHBondContact O-N 3.44Å; S94-E96 VanDerWaalsContact O-N 3.08Å; E96-T98 PolarHBondContact O-N 3.3Å; E96-M99 PolarHBondContact O-N 2.88Å
97Q31.9Very low32.1Very low96 Ų9683 Ų8345%0.44946%0.463SS..Hα-helixtrans-69.6-24.3175.4-73.1-178.4-30.200112.3M93 S94 M99 N100 H101M93-Q97 HydrophobicContact CB-CB 4.15Å; M93-Q97 HydrophobicContact CG-CB 4.48Å; M93-Q97 HydrophobicContact SD-CB 4.12Å; S94-Q97 PolarHBondContact O-N 3.12Å; Q97-M99 VanDerWaalsContact C-N 3.35Å; Q97-N100 PolarHBondContact O-N 2.94Å; Q97-H101 PolarHBondContact O-N 3.39Å
98T31.3Very low32.2Very low26 Ų2683.9 Ų83.916%0.1647%0.465CS..Hα-helixtrans-64.3-39.6177.9-57.20000112.1F90 S94 A95 E96 V111F90-T98 HydrophobicContact CE1-CG2 3.56Å; F90-T98 VanDerWaalsContact CE1-OG1 3.26Å; F90-T98 WeakPolarHBondContact CE1-OG1 3.28Å; F90-T98 HydrophobicContact CZ-CG2 3.86Å; S94-T98 PolarHBondContact O-N 3.43Å; S94-T98 PolarHBondContact O-OG1 3.32Å; A95-T98 VanDerWaalsContact O-CB 3.3Å; A95-T98 WeakPolarHBondContact O-CB 3.4Å; A95-T98 PolarHBondContact O-N 2.9Å; E96-T98 PolarHBondContact O-N 3.3Å; T98-V111 HydrophobicContact CG2-CG1 4.42Å
99M25.5Very low32.6Very low152 Ų15279.4 Ų79.475%0.74944%0.442SS*.Hα-helixtrans-70.9-35.7-178.7-70.6-171.567.800112.5E96 Q97 H101 A102E96-M99 PolarHBondContact O-N 2.88Å; Q97-M99 VanDerWaalsContact C-N 3.35Å; M99-H101 VanDerWaalsContact C-N 3.33Å; M99-H101 PolarHBondContact O-N 3.26Å; M99-A102 WeakPolarHBondContact O-CB 3.3Å; M99-A102 PolarHBondContact O-N 3.05Å
100N28.2Very low32.7Very low142 Ų14277.2 Ų77.276%0.75943%0.429SS*.Hα-helixtrans-74.2-25.8-179.7-71-28.9000112.9Q97 A102Q97-N100 PolarHBondContact O-N 2.94Å; N100-A102 PolarHBondContact O-N 2.78Å
101H27.9Very low32.7Very low103 Ų10378.2 Ų78.248%0.47744%0.436SS..THydrogen-bonded Turntrans-90.827.3173.4-79.4102.9000113.4F90 Q97 M99 A103F90-H101 HydrophobicContact CE2-CB 4.23Å; F90-H101 HydrophobicContact CZ-CB 4.48Å; Q97-H101 PolarHBondContact O-N 3.39Å; M99-H101 VanDerWaalsContact C-N 3.33Å; M99-H101 PolarHBondContact O-N 3.26Å; H101-A103 PolarHBondContact O-N 3.02Å
102A26.1Very low32.8Very low57 Ų5775 Ų7547%0.47142%0.415SS..  trans-62.1-0.3167.300000113.8M99 N100 L104 M108M99-A102 WeakPolarHBondContact O-CB 3.3Å; M99-A102 PolarHBondContact O-N 3.05Å; N100-A102 PolarHBondContact O-N 2.78Å; A102-L104 PolarHBondContact O-N 2.83Å; A102-M108 WeakPolarHBondContact CA-SD 3.33Å; A102-M108 HydrophobicContact CB-CE 4.07Å; A102-M108 HydrophobicContact CB-SD 4.33Å
103A28.7Very low32.5Very low76 Ų7669.1 Ų69.163%0.62839%0.393SS*.SBendtrans-64.476.7161.700000110.6H101 S105H101-A103 PolarHBondContact O-N 3.02Å; A103-S105 PolarHBondContact O-N 3.36Å
104L33.1Very low32.6Very low130 Ų13069.2 Ų69.268%0.68140%0.403SS*.  trans43.536140.6-78151.5000116.5V17 A102V17-L104 HydrophobicContact CG2-CD2 3.62Å; A102-L104 PolarHBondContact O-N 2.83Å
105S34.3Very low32.2Very low31 Ų3174.7 Ų74.722%0.21741%0.414CS..  trans-88144.9175.367.20000109.4A103 S107 M108A103-S105 PolarHBondContact O-N 3.36Å; S105-S107 WeakPolarHBondContact CB-OG 3.46Å; S105-S107 PolarHBondContact O-N 3.44Å; S105-S107 PolarHBondContact OG-OG 2.9Å; S105-M108 WeakPolarHBondContact O-CB 3.47Å; S105-M108 PolarHBondContact O-N 3.43Å
106C39.2Very low32Very low33 Ų3373.3 Ų73.322%0.22340%0.403CS..THydrogen-bonded Turntrans-57.9-20.5177.9-52.80000113.3C21 V83 M108 L109C21-C106 WeakPolarHBondContact CA-SG 3.4Å; C21-C106 HydrophobicContact CB-CB 3.87Å; C21-C106 WeakPolarHBondContact CB-SG 3.4Å; C21-C106 WeakPolarHBondContact SG-CA 3.12Å; C21-C106 WeakPolarHBondContact SG-CB 3.36Å; C21-C106 CovalentContact SG-SG 2.02Å; C21-C106 PolarHBondContact SG-SG 3.33Å; V83-C106 HydrophobicContact CG2-CB 3.72Å; C106-M108 VanDerWaalsContact C-N 3.32Å; C106-M108 PolarHBondContact O-N 3.08Å; C106-L109 VanDerWaalsContact O-CB 3.25Å; C106-L109 WeakPolarHBondContact O-CB 3.35Å; C106-L109 PolarHBondContact O-N 3.31Å
107S35.6Very low31.9Very low3 Ų370.9 Ų70.92%0.02139%0.392CS..Hα-helixtrans-61.7-31.2169.318.10000114.1S105 L109 E110S105-S107 WeakPolarHBondContact CB-OG 3.46Å; S105-S107 PolarHBondContact O-N 3.44Å; S105-S107 PolarHBondContact OG-OG 2.9Å; S107-L109 PolarHBondContact O-N 2.98Å; S107-E110 PolarHBondContact O-N 3.02Å
108M35.2Very low31.6Very low41 Ų4170.7 Ų70.720%0.20240%0.397CS..Hα-helixtrans-65.3-25.2174.6-76-169.18600112.2A102 S105 C106 E110 V111 L112A102-M108 WeakPolarHBondContact CA-SD 3.33Å; A102-M108 HydrophobicContact CB-CE 4.07Å; A102-M108 HydrophobicContact CB-SD 4.33Å; S105-M108 WeakPolarHBondContact O-CB 3.47Å; S105-M108 PolarHBondContact O-N 3.43Å; C106-M108 VanDerWaalsContact C-N 3.32Å; C106-M108 PolarHBondContact O-N 3.08Å; M108-E110 VanDerWaalsContact C-N 3.34Å; M108-E110 PolarHBondContact O-N 2.99Å; M108-V111 PolarHBondContact O-N 2.88Å; M108-L112 WeakPolarHBondContact O-CB 3.42Å; M108-L112 VanDerWaalsContact O-CG 3.28Å; M108-L112 WeakPolarHBondContact O-CG 3.19Å; M108-L112 PolarHBondContact O-N 3.44Å
109L39Very low31.3Very low5 Ų577.4 Ų77.43%0.02642%0.424CS..Hα-helixtrans-63-42.4-177.8-141.6102.5000111F14 V17 A18 L77 C106 S107 L112 V113F14-L109 HydrophobicContact CD2-CD1 4.17Å; F14-L109 HydrophobicContact CD2-CD2 4.49Å; F14-L109 HydrophobicContact CD2-CG 3.95Å; F14-L109 HydrophobicContact CE1-CD2 3.94Å; F14-L109 HydrophobicContact CE1-CG 4.39Å; F14-L109 HydrophobicContact CE2-CD1 4.05Å; F14-L109 HydrophobicContact CE2-CD2 3.6Å; F14-L109 HydrophobicContact CE2-CG 3.39Å; F14-L109 HydrophobicContact CG-CD1 4.5Å; F14-L109 HydrophobicContact CZ-CD1 4.32Å; F14-L109 HydrophobicContact CZ-CD2 3.31Å; F14-L109 HydrophobicContact CZ-CG 3.69Å; V17-L109 HydrophobicContact CB-CD1 3.8Å; V17-L109 HydrophobicContact CG1-CD1 3.47Å; V17-L109 VanDerWaalsContact CG1-CD1 3.47Å; A18-L109 HydrophobicContact CB-CD1 4.1Å; A18-L109 HydrophobicContact CB-CD2 4.19Å; L77-L109 HydrophobicContact CD1-CD2 3.86Å; L77-L109 HydrophobicContact CD2-CD2 3.6Å; L77-L109 HydrophobicContact CG-CD2 4.41Å; C106-L109 VanDerWaalsContact O-CB 3.25Å; C106-L109 WeakPolarHBondContact O-CB 3.35Å; C106-L109 PolarHBondContact O-N 3.31Å; S107-L109 PolarHBondContact O-N 2.98Å; L109-L112 PolarHBondContact O-N 2.77Å; L109-V113 VanDerWaalsContact O-CG2 3.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.07Å; L109-V113 PolarHBondContact O-N 3.33Å
110E34.1Very low31.6Very low60 Ų6085.1 Ų85.128%0.2845%0.445SS..Hα-helixtrans-66.6-40172.9-79.7-164.2170.900112.1V87 S107 M108 L112 V113 A114V87-E110 WeakPolarHBondContact CG1-OE2 3.28Å; V87-E110 HydrophobicContact CG2-CG 4.32Å; V87-E110 WeakPolarHBondContact CG2-OE2 3.39Å; S107-E110 PolarHBondContact O-N 3.02Å; M108-E110 VanDerWaalsContact C-N 3.34Å; M108-E110 PolarHBondContact O-N 2.99Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 3.06Å; E110-V113 PolarHBondContact O-N 2.95Å; E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3.2Å
111V34Very low31.8Very low40 Ų4082.3 Ų82.324%0.24243%0.429CS..Hα-helixtrans-63-41.5177.8177.70000111.2F90 T98 M108 R115F90-V111 HydrophobicContact CD1-CG2 4.46Å; F90-V111 HydrophobicContact CE1-CG2 4.41Å; T98-V111 HydrophobicContact CG2-CG1 4.42Å; M108-V111 PolarHBondContact O-N 2.88Å; V111-R115 WeakPolarHBondContact O-CB 3.28Å; V111-R115 PolarHBondContact O-N 2.8Å
112L32.6Very low32Very low52 Ų5281.2 Ų81.227%0.27243%0.427SS..Hα-helixtrans-67.9-40.7178.4-71.2178.7000111.2Y10 M108 L109 E110 A116Y10-L112 HydrophobicContact CE2-CB 4.39Å; Y10-L112 HydrophobicContact CE2-CD2 4.26Å; Y10-L112 WeakPolarHBondContact OH-CB 3.3Å; Y10-L112 PolarHBondContact OH-O 3.37Å; M108-L112 WeakPolarHBondContact O-CB 3.42Å; M108-L112 VanDerWaalsContact O-CG 3.28Å; M108-L112 WeakPolarHBondContact O-CG 3.19Å; M108-L112 PolarHBondContact O-N 3.44Å; L109-L112 PolarHBondContact O-N 2.77Å; E110-L112 VanDerWaalsContact C-N 3.32Å; E110-L112 PolarHBondContact O-N 3.06Å; L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.47Å
113V34.4Very low32.3Very low52 Ų5282.5 Ų82.532%0.31542%0.424SS..Hα-helixtrans-68.1-45.5174.8176.40000111.4F14 L109 E110 R115 A116 E117F14-V113 HydrophobicContact CD2-CG2 4.49Å; F14-V113 HydrophobicContact CE2-CG2 3.45Å; F14-V113 VanDerWaalsContact CE2-CG2 3.45Å; F14-V113 HydrophobicContact CZ-CG2 3.91Å; L109-V113 VanDerWaalsContact O-CG2 3.27Å; L109-V113 WeakPolarHBondContact O-CG2 3.07Å; L109-V113 PolarHBondContact O-N 3.33Å; E110-V113 PolarHBondContact O-N 2.95Å; V113-R115 VanDerWaalsContact C-N 3.25Å; V113-R115 PolarHBondContact O-N 3.32Å; V113-A116 CarbonylContact O-C 3.52Å; V113-A116 PolarHBondContact O-N 2.74Å; V113-E117 HydrophobicContact CG1-CG 4.46Å; V113-E117 PolarHBondContact O-N 3.23Å
114A32Very low32.5Very low59 Ų5982.9 Ų82.949%0.48841%0.412SS..Hα-helixtrans-60.3-37.7178.900000111.2E110 V118E110-A114 WeakPolarHBondContact O-CB 3.41Å; E110-A114 PolarHBondContact O-N 3.2Å; A114-V118 WeakPolarHBondContact O-CG2 3.42Å; A114-V118 PolarHBondContact O-N 3.14Å
115R29.4Very low32.5Very low176 Ų17679.9 Ų79.966%0.66440%0.395SS*.Hα-helixtrans-72.8-33.9173.2-80-173.4149.7158.6-4113.4V111 V113 E117 V118V111-R115 WeakPolarHBondContact O-CB 3.28Å; V111-R115 PolarHBondContact O-N 2.8Å; V113-R115 VanDerWaalsContact C-N 3.25Å; V113-R115 PolarHBondContact O-N 3.32Å; R115-E117 VanDerWaalsContact C-N 3.33Å; R115-V118 WeakPolarHBondContact O-CB 3.38Å; R115-V118 PolarHBondContact O-N 3.47Å; R115-V118 VanDerWaalsContact O-N 3.14Å
116A30.5Very low32.4Very low50 Ų5083.2 Ų83.241%0.41341%0.407SS..Hα-helixtrans-72.8-25.1173.800000113L112 V113 V118L112-A116 WeakPolarHBondContact O-CB 3.46Å; L112-A116 PolarHBondContact O-N 3.47Å; V113-A116 CarbonylContact O-C 3.52Å; V113-A116 PolarHBondContact O-N 2.74Å; A116-V118 PolarHBondContact O-N 2.72Å
117E26.3Very low31.9Very low104 Ų10486.8 Ų86.849%0.48642%0.42SS..THydrogen-bonded Turntrans-74.6-6.5168.4-73.4-157.3128.200113.1R46 V113 R115 K119R46-E117 IonicContact CZ-OE1 3.01Å; R46-E117 IonicContact NE-OE1 3.55Å; R46-E117 IonicContact NH1-OE1 2.72Å; R46-E117 PolarHBondContact NH1-OE1 3.43Å; R46-E117 IonicContact NH2-OE1 3.47Å; R46-E117 PolarHBondContact NH2-OE1 3.47Å; V113-E117 HydrophobicContact CG1-CG 4.46Å; V113-E117 PolarHBondContact O-N 3.23Å; R115-E117 VanDerWaalsContact C-N 3.33Å; E117-K119 PolarHBondContact O-N 2.99Å
118V25.7Very low31.6Very low93 Ų9393.2 Ų93.256%0.56445%0.451SS*.  trans-80.376.8163.8-168.40000109A114 R115 A116A114-V118 WeakPolarHBondContact O-CG2 3.42Å; A114-V118 PolarHBondContact O-N 3.14Å; R115-V118 WeakPolarHBondContact O-CB 3.38Å; R115-V118 PolarHBondContact O-N 3.47Å; R115-V118 VanDerWaalsContact O-N 3.14Å; A116-V118 PolarHBondContact O-N 2.72Å
119K26.5Very low31.3Very low167 Ų16797.6 Ų97.673%0.72647%0.472SS*.  trans-84.498.9149.6-72.7-165-179.3-177.50107.4E117E117-K119 PolarHBondContact O-N 2.99Å
120W31.2Very low30.6Very low313 Ų313106 Ų106100%1.18651%0.512SS*.  trans-99.50142.7-7550.9000106

Retrieved 120 of 120 residues in 82.6 ms (Link to these results)